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Home > Imidazoles > 958004-97-2
958004-97-2 | 1-[4-(1H-IMIDAZOL-4-YL)PHENYL]ETHAN-1-ONE
CAS No: 958004-97-2 Catalog No: AG01CA06 MDL No:MFCD20690488
Product Description
Catalog Number:
AG01CA06
Chemical Name:
1-[4-(1H-IMIDAZOL-4-YL)PHENYL]ETHAN-1-ONE
CAS Number:
958004-97-2
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD20690488
IUPAC Name:
1-[4-(1H-imidazol-5-yl)phenyl]ethanone
InChI:
InChI=1S/C11H10N2O/c1-8(14)9-2-4-10(5-3-9)11-6-12-7-13-11/h2-7H,1H3,(H,12,13)
InChI Key:
ZMYBXEKQYDPJBH-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccc(cc1)c1c[nH]cn1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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